Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13025061 | 0.88 | AOC3 (0.48) | OPRK1OPRD1UTS2RCYP2D6SLC6A2 | |
| SCHEMBL8060864 | 0.88 | AOC3 (0.48) | OPRK1OPRD1UTS2RCYP2D6SLC6A2 | |
| SCHEMBL2888672 | 0.88 | AOC3 (0.48) | OPRK1OPRD1UTS2RCYP2D6SLC6A2 | |
| SCHEMBL8077504 | 0.86 | ACHE (0.47) | UTS2ROPRM1 | |
| SCHEMBL13025085 | 0.85 | AOC3 (0.50) | OPRK1OPRD1UTS2RCYP3A4CYP2D6 | |
| SCHEMBL13066675 | 0.84 | AOC3 (0.43) | OPRK1OPRD1UTS2RCYP2D6SLC6A2 | |
| SCHEMBL8082126 | 0.84 | AOC3 (0.47) | OPRK1OPRD1UTS2RCYP2D6SLC6A2 | |
| SCHEMBL13066193 | 0.81 | SLC6A9 (0.43) | OPRK1OPRD1UTS2RSLC6A4BCHE | |
| SCHEMBL8080369 | 0.79 | AOC3 (0.57) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5102674 | 0.79 | UGT2B7 (0.50) | UTS2RCYP3A4CYP2D6SLC6A2SLC6A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009051661-A2 | SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2009-04-23 | — | — | WO | disclosed |